[8-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)-1-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [8-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)-1-propyl-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (3-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [8-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-propyl-7-purinyl]methyl ester IUPAC Name: (3-benzyl-8-cyclopentyl-2,6-dioxo-1-propylpurin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-benzyl-8-cyclopentyl-2,6-diketo-1-propyl-purin-7-yl)methyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2COC(=O)C(C)(C)C)C3CCCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O4/c1-5-15-28-23(31)20-22(29(25(28)33)16-18-11-7-6-8-12-18)27-21(19-13-9-10-14-19)30(20)17-34-24(32)26(2,3)4/h6-8,11-12,19H,5,9-10,13-17H2,1-4H3